Geometry & MOs

Info

ID:	145508
PubChem CID:	53536505
Reduced:	NOSC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	369.078327
ΔH_f, kcal/mol:	60.07
Dipole, Da:	5.77
IP(EA), eV:	-8.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[(4-cyanophenyl)sulfonylamino]-3-oxoprop-1-enyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=[N+](C(=C1)SC/C=C/CSC2=CC=CC=[N+]2[O-])[O-]

DOS

IR

Vibrations